ethyl 1-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]-2-oxidanylidene-2-(3,4,5-triethoxyphenyl)ethanesulfonate

Systemtic Name: ethyl 1-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]-2-oxidanylidene-2-(3,4,5-triethoxyphenyl)ethanesulfonate Openeye Name: ethyl 1-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]-2-oxo-2-(3,4,5-triethoxyphenyl)ethanesulfonate CAS Name: 1-[3-(3,4-dimethoxyphenyl)-3-pyrrolidinyl]-2-oxo-2-(3,4,5-triethoxyphenyl)ethanesulfonic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]-2-oxo-2-(3,4,5-triethoxyphenyl)ethanesulfonate Traditional Name: 1-[3-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]-2-keto-2-(3,4,5-triethoxyphenyl)ethanesulfonic acid ethyl ester Formula: C28H39NO9S MolecularWeight: 565.67556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)C(C2(CCNC2)C3=CC(=C(C=C3)OC)OC)S(=O)(=O)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)C(C2(CCNC2)C3=CC(=C(C=C3)OC)OC)S(=O)(=O)OCC

InChI

InChI=1S/C28H39NO9S/c1-7-35-23-15-19(16-24(36-8-2)26(23)37-9-3)25(30)27(39(31,32)38-10-4)28(13-14-29-18-28)20-11-12-21(33-5)22(17-20)34-6/h11-12,15-17,27,29H,7-10,13-14,18H2,1-6H3